4-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]phthalazin-1-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H22N4O2/c1-15-18-5-3-4-6-19(18)21(27)25(22-15)17-9-7-16(8-10-17)20(26)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3/p+1